论文标题

将反对称的Geminal功率波函数相关联

Correlating the Antisymmetrized Geminal Power Wave Function

论文作者

Henderson, Thomas M., Scuseria, Gustavo E.

论文摘要

强大的配对相关性负责两粒子密度矩阵中的超导性和非对角线远距离顺序。多年前,反对称的Geminal Power Wave功能被倡导是最简单的模型,可以为这些相关性提供合理的定性描述而无需打破数字对称性。然而,事实仍然是,在所有相关状态下,反对称的双子力量通常并非定量准确。在这项工作中,我们讨论了如何将此波函数用作更复杂的相关技术(例如配置相互作用,耦合群集理论或随机相位近似)的参考状态。

Strong pairing correlations are responsible for superconductivity and off-diagonal long range order in the two-particle density matrix. The antisymmetrized geminal power wave function was championed many years ago as the simplest model that can provide a reasonable qualitative description for these correlations without breaking number symmetry. The fact remains, however, that the antisymmetrized geminal power is not generally quantitatively accurate in all correlation regimes. In this work, we discuss how we might use this wave function as a reference state for a more sophisticated correlation technique such as configuration interaction, coupled cluster theory, or the random phase approximation.

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